Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL462252

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462252
Phase Preclinical
Structure Type BOTH
InChI Key QKIWFUIYURCYKQ-RCBQFDQVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
-1.42
ALogP
7
HBA
7
HBD
196.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31N5O6
MW 437.50
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
19072163 10.1021/jm800735d Unchecked 1

Data from ChEMBL 36 via Core Engine